USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 253 hydrogens (139 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 DT C7 :methyl 150:sc= -1.04 (180deg=-1.04) USER MOD Single : A 10 DT O3' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl 150:sc= -3.18! (180deg=-3.18!) USER MOD Single : B 20 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C5' XTY A 1 -15.427 -10.935 -8.754 1.00 0.00 C HETATM 2 C4' XTY A 1 -14.527 -11.694 -7.782 1.00 0.00 C HETATM 3 O4' XTY A 1 -13.449 -12.292 -8.516 1.00 0.00 O HETATM 4 C3' XTY A 1 -13.861 -10.829 -6.719 1.00 0.00 C HETATM 5 C2' XTY A 1 -12.475 -10.549 -7.280 1.00 0.00 C HETATM 6 C1' XTY A 1 -12.172 -11.837 -8.047 1.00 0.00 C HETATM 7 O5' XTY A 1 -15.562 -9.558 -8.388 1.00 0.00 O HETATM 8 C2 XTY A 1 -8.758 -14.154 -8.854 1.00 0.00 C HETATM 9 O2 XTY A 1 -8.431 -15.069 -8.103 1.00 0.00 O HETATM 10 N3 XTY A 1 -8.018 -13.861 -9.984 1.00 0.00 N HETATM 11 C4 XTY A 1 -8.316 -12.852 -10.874 1.00 0.00 C HETATM 12 O4 XTY A 1 -7.606 -12.659 -11.860 1.00 0.00 O HETATM 13 C5 XTY A 1 -9.448 -12.068 -10.618 1.00 0.00 C HETATM 14 C6 XTY A 1 -10.232 -12.342 -9.466 1.00 0.00 C HETATM 15 N XTY A 1 -9.886 -13.379 -8.590 1.00 0.00 N HETATM 16 CP XTY A 1 -9.798 -11.021 -11.499 1.00 0.00 C HETATM 17 CD XTY A 1 -11.712 -10.512 -10.093 1.00 0.00 C HETATM 18 C8 XTY A 1 -11.385 -11.557 -9.189 1.00 0.00 C HETATM 19 C7 XTY A 1 -10.928 -10.250 -11.230 1.00 0.00 C HETATM 20 C7A XTY A 1 -11.315 -9.115 -12.175 1.00 0.00 C HETATM 21 O3' XTY A 1 -13.693 -11.651 -5.560 1.00 0.00 O HETATM 0 H7A3 XTY A 1 -10.504 -8.389 -12.223 1.00 0.00 H new HETATM 0 H7A2 XTY A 1 -11.500 -9.518 -13.171 1.00 0.00 H new HETATM 0 H7A1 XTY A 1 -12.218 -8.627 -11.807 1.00 0.00 H new HETATM 0 H5'2 XTY A 1 -15.015 -11.005 -9.761 1.00 0.00 H new HETATM 0 H5'1 XTY A 1 -16.411 -11.403 -8.779 1.00 0.00 H new HETATM 0 H2'2 XTY A 1 -12.468 -9.675 -7.932 1.00 0.00 H new HETATM 0 H2'1 XTY A 1 -11.746 -10.364 -6.491 1.00 0.00 H new HETATM 0 HP XTY A 1 -9.190 -10.818 -12.381 1.00 0.00 H new HETATM 0 HN3 XTY A 1 -7.194 -14.431 -10.172 1.00 0.00 H new HETATM 0 HN XTY A 1 -10.456 -13.566 -7.765 1.00 0.00 H new HETATM 0 HD XTY A 1 -12.592 -9.898 -9.901 1.00 0.00 H new HETATM 0 H4' XTY A 1 -15.186 -12.407 -7.286 1.00 0.00 H new HETATM 0 H3' XTY A 1 -14.419 -9.925 -6.477 1.00 0.00 H new HETATM 0 H1' XTY A 1 -11.644 -12.555 -7.419 1.00 0.00 H new ATOM 37 P DG A 2 -13.586 -10.991 -4.094 1.00 0.00 P ATOM 38 OP1 DG A 2 -13.998 -9.572 -4.186 1.00 0.00 O ATOM 39 OP2 DG A 2 -14.257 -11.892 -3.129 1.00 0.00 O ATOM 40 O5' DG A 2 -12.004 -11.038 -3.809 1.00 0.00 O ATOM 41 C5' DG A 2 -11.328 -12.287 -3.642 1.00 0.00 C ATOM 42 C4' DG A 2 -10.128 -12.155 -2.709 1.00 0.00 C ATOM 43 O4' DG A 2 -8.942 -11.979 -3.498 1.00 0.00 O ATOM 44 C3' DG A 2 -10.170 -10.944 -1.786 1.00 0.00 C ATOM 45 O3' DG A 2 -9.355 -11.255 -0.650 1.00 0.00 O ATOM 46 C2' DG A 2 -9.446 -9.871 -2.582 1.00 0.00 C ATOM 47 C1' DG A 2 -8.357 -10.690 -3.266 1.00 0.00 C ATOM 48 N9 DG A 2 -7.932 -10.122 -4.563 1.00 0.00 N ATOM 49 C8 DG A 2 -8.335 -8.960 -5.172 1.00 0.00 C ATOM 50 N7 DG A 2 -7.748 -8.736 -6.314 1.00 0.00 N ATOM 51 C5 DG A 2 -6.899 -9.823 -6.476 1.00 0.00 C ATOM 52 C6 DG A 2 -6.003 -10.131 -7.535 1.00 0.00 C ATOM 53 O6 DG A 2 -5.773 -9.479 -8.552 1.00 0.00 O ATOM 54 N1 DG A 2 -5.337 -11.324 -7.309 1.00 0.00 N ATOM 55 C2 DG A 2 -5.504 -12.126 -6.203 1.00 0.00 C ATOM 56 N2 DG A 2 -4.778 -13.242 -6.149 1.00 0.00 N ATOM 57 N3 DG A 2 -6.343 -11.847 -5.203 1.00 0.00 N ATOM 58 C4 DG A 2 -7.005 -10.682 -5.408 1.00 0.00 C ATOM 0 H5' DG A 2 -10.996 -12.655 -4.613 1.00 0.00 H new ATOM 0 H5'' DG A 2 -12.022 -13.026 -3.241 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.141 -13.061 -2.104 1.00 0.00 H new ATOM 0 H3' DG A 2 -11.174 -10.658 -1.471 1.00 0.00 H new ATOM 0 H2' DG A 2 -10.102 -9.379 -3.300 1.00 0.00 H new ATOM 0 H2'' DG A 2 -9.033 -9.092 -1.941 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.467 -10.714 -2.637 1.00 0.00 H new ATOM 0 H8 DG A 2 -9.070 -8.294 -4.745 1.00 0.00 H new ATOM 0 H1 DG A 2 -4.671 -11.632 -8.017 1.00 0.00 H new ATOM 0 H21 DG A 2 -4.866 -13.869 -5.350 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.134 -13.469 -6.907 1.00 0.00 H new HETATM 70 P XTY A 3 -9.660 -10.602 0.790 1.00 0.00 P HETATM 71 OP1 XTY A 3 -9.167 -11.532 1.832 1.00 0.00 O HETATM 72 OP2 XTY A 3 -11.070 -10.154 0.810 1.00 0.00 O HETATM 73 C5' XTY A 3 -7.377 -9.361 0.288 1.00 0.00 C HETATM 74 C4' XTY A 3 -6.647 -8.031 0.453 1.00 0.00 C HETATM 75 O4' XTY A 3 -6.138 -7.613 -0.821 1.00 0.00 O HETATM 76 C3' XTY A 3 -7.523 -6.873 0.936 1.00 0.00 C HETATM 77 C2' XTY A 3 -7.817 -6.083 -0.333 1.00 0.00 C HETATM 78 C1' XTY A 3 -6.515 -6.261 -1.108 1.00 0.00 C HETATM 79 O5' XTY A 3 -8.717 -9.297 0.793 1.00 0.00 O HETATM 80 C2 XTY A 3 -3.473 -7.532 -3.569 1.00 0.00 C HETATM 81 O2 XTY A 3 -2.436 -7.974 -3.082 1.00 0.00 O HETATM 82 N3 XTY A 3 -3.641 -7.450 -4.939 1.00 0.00 N HETATM 83 C4 XTY A 3 -4.773 -6.965 -5.563 1.00 0.00 C HETATM 84 O4 XTY A 3 -4.844 -6.926 -6.790 1.00 0.00 O HETATM 85 C5 XTY A 3 -5.824 -6.525 -4.754 1.00 0.00 C HETATM 86 C6 XTY A 3 -5.681 -6.597 -3.350 1.00 0.00 C HETATM 87 N XTY A 3 -4.517 -7.094 -2.760 1.00 0.00 N HETATM 88 CP XTY A 3 -7.009 -6.017 -5.331 1.00 0.00 C HETATM 89 CD XTY A 3 -7.904 -5.656 -3.098 1.00 0.00 C HETATM 90 C8 XTY A 3 -6.718 -6.164 -2.501 1.00 0.00 C HETATM 91 C7 XTY A 3 -8.043 -5.585 -4.498 1.00 0.00 C HETATM 92 C7A XTY A 3 -9.328 -5.033 -5.110 1.00 0.00 C HETATM 93 O3' XTY A 3 -6.704 -6.050 1.777 1.00 0.00 O HETATM 0 H7A3 XTY A 3 -9.095 -4.160 -5.719 1.00 0.00 H new HETATM 0 H7A2 XTY A 3 -9.791 -5.797 -5.734 1.00 0.00 H new HETATM 0 H7A1 XTY A 3 -10.016 -4.748 -4.315 1.00 0.00 H new HETATM 0 H5'2 XTY A 3 -7.398 -9.636 -0.767 1.00 0.00 H new HETATM 0 H5'1 XTY A 3 -6.828 -10.145 0.811 1.00 0.00 H new HETATM 0 H2'2 XTY A 3 -8.675 -6.481 -0.875 1.00 0.00 H new HETATM 0 H2'1 XTY A 3 -8.030 -5.035 -0.124 1.00 0.00 H new HETATM 0 HP XTY A 3 -7.115 -5.963 -6.414 1.00 0.00 H new HETATM 0 HN3 XTY A 3 -2.874 -7.771 -5.530 1.00 0.00 H new HETATM 0 HN XTY A 3 -4.433 -7.136 -1.744 1.00 0.00 H new HETATM 0 HD XTY A 3 -8.720 -5.315 -2.461 1.00 0.00 H new HETATM 0 H4' XTY A 3 -5.880 -8.226 1.203 1.00 0.00 H new HETATM 0 H3' XTY A 3 -8.421 -7.190 1.467 1.00 0.00 H new HETATM 0 H1' XTY A 3 -5.782 -5.504 -0.830 1.00 0.00 H new ATOM 108 P DA A 4 -6.987 -5.951 3.363 1.00 0.00 P ATOM 109 OP1 DA A 4 -7.113 -4.520 3.719 1.00 0.00 O ATOM 110 OP2 DA A 4 -8.078 -6.893 3.702 1.00 0.00 O ATOM 111 O5' DA A 4 -5.620 -6.510 4.010 1.00 0.00 O ATOM 112 C5' DA A 4 -5.263 -7.892 3.889 1.00 0.00 C ATOM 113 C4' DA A 4 -3.751 -8.092 3.940 1.00 0.00 C ATOM 114 O4' DA A 4 -3.211 -7.887 2.626 1.00 0.00 O ATOM 115 C3' DA A 4 -3.008 -7.108 4.835 1.00 0.00 C ATOM 116 O3' DA A 4 -1.824 -7.769 5.287 1.00 0.00 O ATOM 117 C2' DA A 4 -2.571 -5.999 3.893 1.00 0.00 C ATOM 118 C1' DA A 4 -2.344 -6.743 2.584 1.00 0.00 C ATOM 119 N9 DA A 4 -2.719 -5.923 1.416 1.00 0.00 N ATOM 120 C8 DA A 4 -3.867 -5.199 1.226 1.00 0.00 C ATOM 121 N7 DA A 4 -3.923 -4.602 0.069 1.00 0.00 N ATOM 122 C5 DA A 4 -2.729 -4.955 -0.546 1.00 0.00 C ATOM 123 C6 DA A 4 -2.183 -4.641 -1.796 1.00 0.00 C ATOM 124 N6 DA A 4 -2.814 -3.896 -2.699 1.00 0.00 N ATOM 125 N1 DA A 4 -0.975 -5.148 -2.100 1.00 0.00 N ATOM 126 C2 DA A 4 -0.360 -5.921 -1.210 1.00 0.00 C ATOM 127 N3 DA A 4 -0.769 -6.291 -0.003 1.00 0.00 N ATOM 128 C4 DA A 4 -1.982 -5.760 0.265 1.00 0.00 C ATOM 0 H5' DA A 4 -5.651 -8.287 2.950 1.00 0.00 H new ATOM 0 H5'' DA A 4 -5.732 -8.461 4.692 1.00 0.00 H new ATOM 0 H4' DA A 4 -3.612 -9.098 4.335 1.00 0.00 H new ATOM 0 H3' DA A 4 -3.601 -6.751 5.677 1.00 0.00 H new ATOM 0 H2' DA A 4 -3.335 -5.228 3.793 1.00 0.00 H new ATOM 0 H2'' DA A 4 -1.663 -5.506 4.241 1.00 0.00 H new ATOM 0 H1' DA A 4 -1.290 -7.002 2.482 1.00 0.00 H new ATOM 0 H8 DA A 4 -4.651 -5.130 1.965 1.00 0.00 H new ATOM 0 H61 DA A 4 -2.371 -3.697 -3.596 1.00 0.00 H new ATOM 0 H62 DA A 4 -3.741 -3.524 -2.495 1.00 0.00 H new ATOM 0 H2 DA A 4 0.606 -6.300 -1.511 1.00 0.00 H new HETATM 140 P XCS A 5 -1.224 -7.466 6.752 1.00 0.00 P HETATM 141 OP2 XCS A 5 -1.937 -6.296 7.315 1.00 0.00 O HETATM 142 C6 XCS A 5 0.089 -2.725 2.542 1.00 0.00 C HETATM 143 C2 XCS A 5 1.184 -2.213 0.462 1.00 0.00 C HETATM 144 O2 XCS A 5 2.194 -2.259 -0.236 1.00 0.00 O HETATM 145 N3 XCS A 5 0.032 -1.628 0.002 1.00 0.00 N HETATM 146 C4 XCS A 5 -1.077 -1.574 0.758 1.00 0.00 C HETATM 147 N4 XCS A 5 -2.160 -0.992 0.239 1.00 0.00 N HETATM 148 C5 XCS A 5 -1.090 -2.129 2.074 1.00 0.00 C HETATM 149 OP1 XCS A 5 -1.185 -8.738 7.508 1.00 0.00 O HETATM 150 O5' XCS A 5 0.289 -7.024 6.429 1.00 0.00 O HETATM 151 C5' XCS A 5 0.850 -7.215 5.125 1.00 0.00 C HETATM 152 C4' XCS A 5 1.887 -6.146 4.798 1.00 0.00 C HETATM 153 O4' XCS A 5 1.339 -5.258 3.813 1.00 0.00 O HETATM 154 C1' XCS A 5 1.366 -3.895 4.254 1.00 0.00 C HETATM 155 ND XCS A 5 1.217 -2.770 1.743 1.00 0.00 N HETATM 156 CP XCS A 5 -2.249 -2.078 2.873 1.00 0.00 C HETATM 157 CD XCS A 5 -1.038 -3.235 4.633 1.00 0.00 C HETATM 158 C8 XCS A 5 0.144 -3.295 3.836 1.00 0.00 C HETATM 159 C7 XCS A 5 -2.216 -2.633 4.151 1.00 0.00 C HETATM 160 C7A XCS A 5 -3.464 -2.594 5.027 1.00 0.00 C HETATM 161 C2' XCS A 5 1.478 -3.984 5.782 1.00 0.00 C HETATM 162 C3' XCS A 5 2.283 -5.261 5.977 1.00 0.00 C HETATM 163 O3' XCS A 5 3.664 -4.927 5.819 1.00 0.00 O HETATM 0 HN42 XCS A 5 -3.019 -0.934 0.786 1.00 0.00 H new HETATM 0 HN41 XCS A 5 -2.129 -0.605 -0.704 1.00 0.00 H new HETATM 0 H7A3 XCS A 5 -3.758 -1.558 5.196 1.00 0.00 H new HETATM 0 H7A2 XCS A 5 -4.275 -3.125 4.529 1.00 0.00 H new HETATM 0 H7A1 XCS A 5 -3.252 -3.071 5.984 1.00 0.00 H new HETATM 0 H5'2 XCS A 5 1.312 -8.201 5.068 1.00 0.00 H new HETATM 0 H5'1 XCS A 5 0.055 -7.192 4.379 1.00 0.00 H new HETATM 0 H2'2 XCS A 5 1.985 -3.116 6.203 1.00 0.00 H new HETATM 0 H2'1 XCS A 5 0.499 -4.044 6.258 1.00 0.00 H new HETATM 0 HP XCS A 5 -3.159 -1.611 2.497 1.00 0.00 H new HETATM 0 HND XCS A 5 2.071 -3.209 2.088 1.00 0.00 H new HETATM 0 HD XCS A 5 -1.029 -3.664 5.635 1.00 0.00 H new HETATM 0 H4' XCS A 5 2.770 -6.693 4.468 1.00 0.00 H new HETATM 0 H3' XCS A 5 2.113 -5.733 6.945 1.00 0.00 H new HETATM 0 H1' XCS A 5 2.184 -3.297 3.853 1.00 0.00 H new HETATM 179 P XGA A 6 4.713 -5.256 6.997 1.00 0.00 P HETATM 180 OP1 XGA A 6 4.861 -6.726 7.089 1.00 0.00 O HETATM 181 OP2 XGA A 6 4.320 -4.478 8.193 1.00 0.00 O HETATM 182 C5' XGA A 6 6.548 -4.979 5.118 1.00 0.00 C HETATM 183 O5' XGA A 6 6.088 -4.645 6.430 1.00 0.00 O HETATM 184 C4' XGA A 6 7.344 -3.835 4.499 1.00 0.00 C HETATM 185 O4' XGA A 6 6.430 -2.939 3.850 1.00 0.00 O HETATM 186 C3' XGA A 6 8.110 -2.976 5.498 1.00 0.00 C HETATM 187 C2' XGA A 6 7.172 -1.817 5.788 1.00 0.00 C HETATM 188 C1' XGA A 6 6.452 -1.640 4.455 1.00 0.00 C HETATM 189 N9 XGA A 6 5.095 -1.137 4.586 1.00 0.00 N HETATM 190 C8 XGA A 6 4.244 -1.340 5.646 1.00 0.00 C HETATM 191 N7 XGA A 6 3.086 -0.752 5.467 1.00 0.00 N HETATM 192 C4 XGA A 6 3.832 0.931 1.710 1.00 0.00 C HETATM 193 C5 XGA A 6 2.565 1.171 2.282 1.00 0.00 C HETATM 194 N3 XGA A 6 4.181 1.419 0.512 1.00 0.00 N HETATM 195 C2 XGA A 6 3.259 2.163 -0.141 1.00 0.00 C HETATM 196 N2 XGA A 6 3.588 2.662 -1.356 1.00 0.00 N HETATM 197 N1 XGA A 6 2.029 2.438 0.336 1.00 0.00 N HETATM 198 C6 XGA A 6 1.649 1.945 1.569 1.00 0.00 C HETATM 199 O6 XGA A 6 0.530 2.193 2.016 1.00 0.00 O HETATM 200 C10 XGA A 6 4.426 -0.361 3.662 1.00 0.00 C HETATM 201 C11 XGA A 6 3.178 -0.141 4.245 1.00 0.00 C HETATM 202 CP XGA A 6 2.233 0.631 3.555 1.00 0.00 C HETATM 203 CD XGA A 6 4.769 0.166 2.402 1.00 0.00 C HETATM 204 O3' XGA A 6 9.242 -2.440 4.806 1.00 0.00 O HETATM 0 HN22 XGA A 6 2.915 3.227 -1.874 1.00 0.00 H new HETATM 0 HN21 XGA A 6 4.508 2.473 -1.753 1.00 0.00 H new HETATM 0 H5'2 XGA A 6 7.170 -5.873 5.166 1.00 0.00 H new HETATM 0 H5'1 XGA A 6 5.696 -5.217 4.482 1.00 0.00 H new HETATM 0 H2'2 XGA A 6 6.479 -2.047 6.597 1.00 0.00 H new HETATM 0 H2'1 XGA A 6 7.715 -0.918 6.080 1.00 0.00 H new HETATM 0 HP XGA A 6 1.251 0.816 3.991 1.00 0.00 H new HETATM 0 HN1 XGA A 6 1.382 3.007 -0.210 1.00 0.00 H new HETATM 0 HD XGA A 6 5.754 -0.022 1.974 1.00 0.00 H new HETATM 0 H8 XGA A 6 4.502 -1.921 6.531 1.00 0.00 H new HETATM 0 H4' XGA A 6 8.062 -4.314 3.833 1.00 0.00 H new HETATM 0 H3' XGA A 6 8.420 -3.517 6.392 1.00 0.00 H new HETATM 0 H1' XGA A 6 6.978 -0.895 3.858 1.00 0.00 H new ATOM 218 P DC A 7 10.563 -1.992 5.610 1.00 0.00 P ATOM 219 OP1 DC A 7 11.746 -2.376 4.809 1.00 0.00 O ATOM 220 OP2 DC A 7 10.440 -2.456 7.011 1.00 0.00 O ATOM 221 O5' DC A 7 10.448 -0.387 5.600 1.00 0.00 O ATOM 222 C5' DC A 7 10.124 0.314 4.395 1.00 0.00 C ATOM 223 C4' DC A 7 10.170 1.828 4.590 1.00 0.00 C ATOM 224 O4' DC A 7 8.872 2.378 4.308 1.00 0.00 O ATOM 225 C3' DC A 7 10.501 2.281 6.014 1.00 0.00 C ATOM 226 O3' DC A 7 11.220 3.513 5.906 1.00 0.00 O ATOM 227 C2' DC A 7 9.146 2.610 6.615 1.00 0.00 C ATOM 228 C1' DC A 7 8.412 3.174 5.404 1.00 0.00 C ATOM 229 N1 DC A 7 6.932 3.078 5.497 1.00 0.00 N ATOM 230 C2 DC A 7 6.191 3.553 4.419 1.00 0.00 C ATOM 231 O2 DC A 7 6.756 4.021 3.432 1.00 0.00 O ATOM 232 N3 DC A 7 4.833 3.498 4.486 1.00 0.00 N ATOM 233 C4 DC A 7 4.218 3.000 5.564 1.00 0.00 C ATOM 234 N4 DC A 7 2.886 2.986 5.571 1.00 0.00 N ATOM 235 C5 DC A 7 4.968 2.509 6.677 1.00 0.00 C ATOM 236 C6 DC A 7 6.311 2.564 6.605 1.00 0.00 C ATOM 0 H5' DC A 7 9.129 0.021 4.060 1.00 0.00 H new ATOM 0 H5'' DC A 7 10.822 0.027 3.609 1.00 0.00 H new ATOM 0 H4' DC A 7 10.959 2.173 3.922 1.00 0.00 H new ATOM 0 H3' DC A 7 11.069 1.548 6.586 1.00 0.00 H new ATOM 0 H2' DC A 7 8.651 1.728 7.022 1.00 0.00 H new ATOM 0 H2'' DC A 7 9.221 3.335 7.425 1.00 0.00 H new ATOM 0 H1' DC A 7 8.619 4.240 5.306 1.00 0.00 H new ATOM 0 H41 DC A 7 2.384 2.613 6.377 1.00 0.00 H new ATOM 0 H42 DC A 7 2.368 3.348 4.770 1.00 0.00 H new ATOM 0 H5 DC A 7 4.473 2.107 7.548 1.00 0.00 H new ATOM 0 H6 DC A 7 6.906 2.199 7.429 1.00 0.00 H new HETATM 248 P XAE A 8 12.811 3.563 6.144 1.00 0.00 P HETATM 249 OP1 XAE A 8 13.452 2.610 5.209 1.00 0.00 O HETATM 250 OP2 XAE A 8 13.067 3.458 7.598 1.00 0.00 O HETATM 251 C5' XAE A 8 13.084 5.433 4.295 1.00 0.00 C HETATM 252 C4' XAE A 8 12.697 6.900 4.138 1.00 0.00 C HETATM 253 O4' XAE A 8 11.264 7.004 4.167 1.00 0.00 O HETATM 254 C3' XAE A 8 13.179 7.815 5.259 1.00 0.00 C HETATM 255 C2' XAE A 8 12.024 7.822 6.241 1.00 0.00 C HETATM 256 C1' XAE A 8 10.821 7.760 5.305 1.00 0.00 C HETATM 257 O5' XAE A 8 13.179 5.058 5.675 1.00 0.00 O HETATM 258 N9 XAE A 8 9.649 7.129 5.897 1.00 0.00 N HETATM 259 C8 XAE A 8 9.646 6.074 6.776 1.00 0.00 C HETATM 260 N7 XAE A 8 8.430 5.730 7.128 1.00 0.00 N HETATM 261 C5 XAE A 8 5.564 7.668 5.672 1.00 0.00 C HETATM 262 C4 XAE A 8 6.317 8.564 4.884 1.00 0.00 C HETATM 263 C6 XAE A 8 4.143 7.797 5.640 1.00 0.00 C HETATM 264 N6 XAE A 8 3.342 7.001 6.347 1.00 0.00 N HETATM 265 N1 XAE A 8 3.590 8.748 4.880 1.00 0.00 N HETATM 266 C2 XAE A 8 4.404 9.538 4.178 1.00 0.00 C HETATM 267 N3 XAE A 8 5.744 9.535 4.107 1.00 0.00 N HETATM 268 C10 XAE A 8 8.333 7.484 5.673 1.00 0.00 C HETATM 269 C11 XAE A 8 7.604 6.590 6.457 1.00 0.00 C HETATM 270 CP XAE A 8 6.203 6.675 6.462 1.00 0.00 C HETATM 271 CD XAE A 8 7.710 8.473 4.884 1.00 0.00 C HETATM 272 O3' XAE A 8 13.270 9.138 4.715 1.00 0.00 O HETATM 0 HN62 XAE A 8 2.330 7.123 6.299 1.00 0.00 H new HETATM 0 HN61 XAE A 8 3.740 6.270 6.936 1.00 0.00 H new HETATM 0 H5'2 XAE A 8 12.345 4.806 3.797 1.00 0.00 H new HETATM 0 H5'1 XAE A 8 14.039 5.253 3.802 1.00 0.00 H new HETATM 0 H2'2 XAE A 8 12.059 6.970 6.920 1.00 0.00 H new HETATM 0 H2'1 XAE A 8 12.017 8.721 6.858 1.00 0.00 H new HETATM 0 HP XAE A 8 5.612 5.987 7.066 1.00 0.00 H new HETATM 0 HD XAE A 8 8.308 9.157 4.282 1.00 0.00 H new HETATM 0 H8 XAE A 8 10.548 5.581 7.139 1.00 0.00 H new HETATM 0 H4' XAE A 8 13.162 7.215 3.204 1.00 0.00 H new HETATM 0 H3' XAE A 8 14.129 7.508 5.696 1.00 0.00 H new HETATM 0 H2 XAE A 8 3.908 10.297 3.573 1.00 0.00 H new HETATM 0 H1' XAE A 8 10.499 8.771 5.055 1.00 0.00 H new HETATM 286 P XGA A 9 14.223 10.249 5.394 1.00 0.00 P HETATM 287 OP1 XGA A 9 14.982 10.927 4.319 1.00 0.00 O HETATM 288 OP2 XGA A 9 14.944 9.621 6.523 1.00 0.00 O HETATM 289 C5' XGA A 9 11.910 11.532 5.334 1.00 0.00 C HETATM 290 O5' XGA A 9 13.158 11.298 5.999 1.00 0.00 O HETATM 291 C4' XGA A 9 10.991 12.456 6.135 1.00 0.00 C HETATM 292 O4' XGA A 9 9.767 11.758 6.426 1.00 0.00 O HETATM 293 C3' XGA A 9 11.536 12.901 7.494 1.00 0.00 C HETATM 294 C2' XGA A 9 10.845 11.984 8.492 1.00 0.00 C HETATM 295 C1' XGA A 9 9.490 11.776 7.830 1.00 0.00 C HETATM 296 N9 XGA A 9 8.831 10.542 8.226 1.00 0.00 N HETATM 297 C8 XGA A 9 9.426 9.316 8.380 1.00 0.00 C HETATM 298 N7 XGA A 9 8.568 8.393 8.733 1.00 0.00 N HETATM 299 C4 XGA A 9 5.132 10.771 8.865 1.00 0.00 C HETATM 300 C5 XGA A 9 4.985 9.406 9.186 1.00 0.00 C HETATM 301 N3 XGA A 9 4.100 11.624 8.876 1.00 0.00 N HETATM 302 C2 XGA A 9 2.890 11.121 9.215 1.00 0.00 C HETATM 303 N2 XGA A 9 1.833 11.967 9.224 1.00 0.00 N HETATM 304 N1 XGA A 9 2.665 9.832 9.535 1.00 0.00 N HETATM 305 C6 XGA A 9 3.716 8.935 9.528 1.00 0.00 C HETATM 306 O6 XGA A 9 3.525 7.753 9.805 1.00 0.00 O HETATM 307 C10 XGA A 9 7.489 10.389 8.505 1.00 0.00 C HETATM 308 C11 XGA A 9 7.364 9.036 8.817 1.00 0.00 C HETATM 309 CP XGA A 9 6.102 8.532 9.161 1.00 0.00 C HETATM 310 CD XGA A 9 6.390 11.268 8.527 1.00 0.00 C HETATM 311 O3' XGA A 9 11.036 14.223 7.725 1.00 0.00 O HETATM 0 HN22 XGA A 9 0.906 11.623 9.475 1.00 0.00 H new HETATM 0 HN21 XGA A 9 1.963 12.949 8.980 1.00 0.00 H new HETATM 0 H5'2 XGA A 9 12.099 11.971 4.355 1.00 0.00 H new HETATM 0 H5'1 XGA A 9 11.407 10.580 5.165 1.00 0.00 H new HETATM 0 H2'2 XGA A 9 11.383 11.046 8.627 1.00 0.00 H new HETATM 0 H2'1 XGA A 9 10.754 12.444 9.476 1.00 0.00 H new HETATM 0 HP XGA A 9 5.980 7.477 9.407 1.00 0.00 H new HETATM 0 HN1 XGA A 9 1.725 9.520 9.781 1.00 0.00 H new HETATM 0 HD XGA A 9 6.521 12.322 8.283 1.00 0.00 H new HETATM 0 H8 XGA A 9 10.489 9.132 8.226 1.00 0.00 H new HETATM 0 H4' XGA A 9 10.873 13.340 5.508 1.00 0.00 H new HETATM 0 H3' XGA A 9 12.624 12.873 7.560 1.00 0.00 H new HETATM 0 H1' XGA A 9 8.802 12.567 8.129 1.00 0.00 H new ATOM 325 P DT A 10 11.799 15.242 8.715 1.00 0.00 P ATOM 326 OP1 DT A 10 12.218 16.424 7.930 1.00 0.00 O ATOM 327 OP2 DT A 10 12.802 14.477 9.490 1.00 0.00 O ATOM 328 O5' DT A 10 10.625 15.697 9.723 1.00 0.00 O ATOM 329 C5' DT A 10 9.262 15.346 9.459 1.00 0.00 C ATOM 330 C4' DT A 10 8.299 15.999 10.447 1.00 0.00 C ATOM 331 O4' DT A 10 7.178 15.124 10.641 1.00 0.00 O ATOM 332 C3' DT A 10 8.871 16.246 11.845 1.00 0.00 C ATOM 333 O3' DT A 10 8.253 17.387 12.445 1.00 0.00 O ATOM 334 C2' DT A 10 8.481 14.977 12.589 1.00 0.00 C ATOM 335 C1' DT A 10 7.107 14.675 11.995 1.00 0.00 C ATOM 336 N1 DT A 10 6.763 13.229 12.003 1.00 0.00 N ATOM 337 C2 DT A 10 5.425 12.894 12.164 1.00 0.00 C ATOM 338 O2 DT A 10 4.535 13.736 12.282 1.00 0.00 O ATOM 339 N3 DT A 10 5.138 11.543 12.181 1.00 0.00 N ATOM 340 C4 DT A 10 6.046 10.511 12.055 1.00 0.00 C ATOM 341 O4 DT A 10 5.666 9.343 12.095 1.00 0.00 O ATOM 342 C5 DT A 10 7.411 10.946 11.888 1.00 0.00 C ATOM 343 C7 DT A 10 8.519 9.905 11.743 1.00 0.00 C ATOM 344 C6 DT A 10 7.725 12.256 11.864 1.00 0.00 C ATOM 0 H5' DT A 10 9.151 14.263 9.508 1.00 0.00 H new ATOM 0 H5'' DT A 10 9.000 15.648 8.445 1.00 0.00 H new ATOM 0 H4' DT A 10 8.053 16.964 10.005 1.00 0.00 H new ATOM 0 H3' DT A 10 9.943 16.445 11.850 1.00 0.00 H new ATOM 0 H2' DT A 10 9.189 14.167 12.414 1.00 0.00 H new ATOM 0 H2'' DT A 10 8.435 15.133 13.667 1.00 0.00 H new ATOM 0 HO3' DT A 10 8.628 17.530 13.339 1.00 0.00 H new ATOM 0 H1' DT A 10 6.337 15.169 12.588 1.00 0.00 H new ATOM 0 H3 DT A 10 4.159 11.282 12.298 1.00 0.00 H new ATOM 0 H71 DT A 10 9.322 10.311 11.128 1.00 0.00 H new ATOM 0 H72 DT A 10 8.910 9.650 12.728 1.00 0.00 H new ATOM 0 H73 DT A 10 8.117 9.009 11.269 1.00 0.00 H new ATOM 0 H6 DT A 10 8.756 12.549 11.733 1.00 0.00 H new TER 358 DT A 10 HETATM 359 C5' XAE B 11 -5.820 4.726 14.523 1.00 0.00 C HETATM 360 C4' XAE B 11 -5.877 6.178 14.056 1.00 0.00 C HETATM 361 O4' XAE B 11 -4.689 6.854 14.490 1.00 0.00 O HETATM 362 C3' XAE B 11 -5.914 6.361 12.543 1.00 0.00 C HETATM 363 C2' XAE B 11 -4.458 6.579 12.157 1.00 0.00 C HETATM 364 C1' XAE B 11 -3.894 7.292 13.379 1.00 0.00 C HETATM 365 O5' XAE B 11 -5.143 3.891 13.578 1.00 0.00 O HETATM 366 N9 XAE B 11 -2.500 6.971 13.626 1.00 0.00 N HETATM 367 C8 XAE B 11 -2.016 5.769 14.078 1.00 0.00 C HETATM 368 N7 XAE B 11 -0.712 5.780 14.205 1.00 0.00 N HETATM 369 C5 XAE B 11 1.110 8.939 13.328 1.00 0.00 C HETATM 370 C4 XAE B 11 -0.007 9.716 12.953 1.00 0.00 C HETATM 371 C6 XAE B 11 2.391 9.554 13.253 1.00 0.00 C HETATM 372 N6 XAE B 11 3.509 8.905 13.583 1.00 0.00 N HETATM 373 N1 XAE B 11 2.487 10.818 12.838 1.00 0.00 N HETATM 374 C2 XAE B 11 1.367 11.456 12.510 1.00 0.00 C HETATM 375 N3 XAE B 11 0.098 11.015 12.528 1.00 0.00 N HETATM 376 C10 XAE B 11 -1.421 7.814 13.451 1.00 0.00 C HETATM 377 C11 XAE B 11 -0.324 7.035 13.822 1.00 0.00 C HETATM 378 CP XAE B 11 0.957 7.598 13.763 1.00 0.00 C HETATM 379 CD XAE B 11 -1.283 9.149 13.016 1.00 0.00 C HETATM 380 O3' XAE B 11 -6.608 7.586 12.286 1.00 0.00 O HETATM 0 HN62 XAE B 11 4.411 9.377 13.517 1.00 0.00 H new HETATM 0 HN61 XAE B 11 3.462 7.937 13.901 1.00 0.00 H new HETATM 0 H5'2 XAE B 11 -5.311 4.673 15.485 1.00 0.00 H new HETATM 0 H5'1 XAE B 11 -6.833 4.354 14.677 1.00 0.00 H new HETATM 0 H2'2 XAE B 11 -3.944 5.637 11.964 1.00 0.00 H new HETATM 0 H2'1 XAE B 11 -4.364 7.184 11.255 1.00 0.00 H new HETATM 0 HP XAE B 11 1.829 7.010 14.049 1.00 0.00 H new HETATM 0 HD XAE B 11 -2.160 9.731 12.733 1.00 0.00 H new HETATM 0 H8 XAE B 11 -2.643 4.907 14.305 1.00 0.00 H new HETATM 0 H4' XAE B 11 -6.801 6.573 14.478 1.00 0.00 H new HETATM 0 H3' XAE B 11 -6.383 5.531 12.015 1.00 0.00 H new HETATM 0 H2 XAE B 11 1.498 12.486 12.178 1.00 0.00 H new HETATM 0 H1' XAE B 11 -3.933 8.370 13.225 1.00 0.00 H new ATOM 395 P DC B 12 -7.353 7.833 10.878 1.00 0.00 P ATOM 396 OP1 DC B 12 -7.385 6.553 10.135 1.00 0.00 O ATOM 397 OP2 DC B 12 -8.612 8.564 11.144 1.00 0.00 O ATOM 398 O5' DC B 12 -6.342 8.830 10.120 1.00 0.00 O ATOM 399 C5' DC B 12 -5.639 9.844 10.847 1.00 0.00 C ATOM 400 C4' DC B 12 -4.892 10.798 9.917 1.00 0.00 C ATOM 401 O4' DC B 12 -3.480 10.575 10.059 1.00 0.00 O ATOM 402 C3' DC B 12 -5.188 10.613 8.427 1.00 0.00 C ATOM 403 O3' DC B 12 -5.132 11.911 7.826 1.00 0.00 O ATOM 404 C2' DC B 12 -4.002 9.824 7.901 1.00 0.00 C ATOM 405 C1' DC B 12 -2.872 10.321 8.788 1.00 0.00 C ATOM 406 N1 DC B 12 -1.805 9.312 8.959 1.00 0.00 N ATOM 407 C2 DC B 12 -0.531 9.636 8.514 1.00 0.00 C ATOM 408 O2 DC B 12 -0.308 10.737 8.013 1.00 0.00 O ATOM 409 N3 DC B 12 0.460 8.714 8.647 1.00 0.00 N ATOM 410 C4 DC B 12 0.214 7.517 9.197 1.00 0.00 C ATOM 411 N4 DC B 12 1.227 6.657 9.296 1.00 0.00 N ATOM 412 C5 DC B 12 -1.095 7.176 9.659 1.00 0.00 C ATOM 413 C6 DC B 12 -2.067 8.095 9.522 1.00 0.00 C ATOM 0 H5' DC B 12 -4.931 9.376 11.531 1.00 0.00 H new ATOM 0 H5'' DC B 12 -6.345 10.409 11.456 1.00 0.00 H new ATOM 0 H4' DC B 12 -5.224 11.794 10.211 1.00 0.00 H new ATOM 0 H3' DC B 12 -6.147 10.133 8.231 1.00 0.00 H new ATOM 0 H2' DC B 12 -4.153 8.749 7.997 1.00 0.00 H new ATOM 0 H2'' DC B 12 -3.812 10.027 6.847 1.00 0.00 H new ATOM 0 H1' DC B 12 -2.401 11.199 8.345 1.00 0.00 H new ATOM 0 H41 DC B 12 1.076 5.737 9.709 1.00 0.00 H new ATOM 0 H42 DC B 12 2.153 6.919 8.958 1.00 0.00 H new ATOM 0 H5 DC B 12 -1.297 6.212 10.103 1.00 0.00 H new ATOM 0 H6 DC B 12 -3.067 7.868 9.861 1.00 0.00 H new ATOM 425 P DT B 13 -6.181 12.336 6.680 1.00 0.00 P ATOM 426 OP1 DT B 13 -6.747 13.656 7.038 1.00 0.00 O ATOM 427 OP2 DT B 13 -7.086 11.192 6.424 1.00 0.00 O ATOM 428 O5' DT B 13 -5.235 12.525 5.393 1.00 0.00 O ATOM 429 C5' DT B 13 -4.064 13.346 5.466 1.00 0.00 C ATOM 430 C4' DT B 13 -3.232 13.266 4.187 1.00 0.00 C ATOM 431 O4' DT B 13 -2.045 12.505 4.453 1.00 0.00 O ATOM 432 C3' DT B 13 -3.918 12.566 3.013 1.00 0.00 C ATOM 433 O3' DT B 13 -3.493 13.231 1.819 1.00 0.00 O ATOM 434 C2' DT B 13 -3.307 11.172 2.991 1.00 0.00 C ATOM 435 C1' DT B 13 -1.898 11.437 3.514 1.00 0.00 C ATOM 436 N1 DT B 13 -1.288 10.273 4.209 1.00 0.00 N ATOM 437 C2 DT B 13 0.093 10.151 4.149 1.00 0.00 C ATOM 438 O2 DT B 13 0.802 10.953 3.545 1.00 0.00 O ATOM 439 N3 DT B 13 0.638 9.064 4.810 1.00 0.00 N ATOM 440 C4 DT B 13 -0.064 8.102 5.514 1.00 0.00 C ATOM 441 O4 DT B 13 0.533 7.179 6.063 1.00 0.00 O ATOM 442 C5 DT B 13 -1.494 8.306 5.522 1.00 0.00 C ATOM 443 C7 DT B 13 -2.394 7.307 6.247 1.00 0.00 C ATOM 444 C6 DT B 13 -2.051 9.356 4.890 1.00 0.00 C ATOM 0 H5' DT B 13 -3.455 13.036 6.315 1.00 0.00 H new ATOM 0 H5'' DT B 13 -4.357 14.381 5.645 1.00 0.00 H new ATOM 0 H4' DT B 13 -3.048 14.303 3.905 1.00 0.00 H new ATOM 0 H3' DT B 13 -5.005 12.560 3.090 1.00 0.00 H new ATOM 0 H2' DT B 13 -3.854 10.476 3.627 1.00 0.00 H new ATOM 0 H2'' DT B 13 -3.297 10.746 1.988 1.00 0.00 H new ATOM 0 H1' DT B 13 -1.238 11.662 2.676 1.00 0.00 H new ATOM 0 H3 DT B 13 1.652 8.963 4.775 1.00 0.00 H new ATOM 0 H71 DT B 13 -3.282 7.819 6.617 1.00 0.00 H new ATOM 0 H72 DT B 13 -2.692 6.518 5.557 1.00 0.00 H new ATOM 0 H73 DT B 13 -1.851 6.870 7.085 1.00 0.00 H new ATOM 0 H6 DT B 13 -3.123 9.480 4.919 1.00 0.00 H new HETATM 457 P XGA B 14 -4.413 13.215 0.496 1.00 0.00 P HETATM 458 OP1 XGA B 14 -4.858 14.600 0.225 1.00 0.00 O HETATM 459 OP2 XGA B 14 -5.415 12.134 0.637 1.00 0.00 O HETATM 460 C5' XGA B 14 -1.974 12.673 -0.381 1.00 0.00 C HETATM 461 O5' XGA B 14 -3.374 12.786 -0.659 1.00 0.00 O HETATM 462 C4' XGA B 14 -1.290 11.663 -1.300 1.00 0.00 C HETATM 463 O4' XGA B 14 -0.710 10.625 -0.495 1.00 0.00 O HETATM 464 C3' XGA B 14 -2.222 10.946 -2.277 1.00 0.00 C HETATM 465 C2' XGA B 14 -2.513 9.615 -1.600 1.00 0.00 C HETATM 466 C1' XGA B 14 -1.196 9.337 -0.887 1.00 0.00 C HETATM 467 N9 XGA B 14 -1.326 8.480 0.283 1.00 0.00 N HETATM 468 C8 XGA B 14 -2.492 8.129 0.919 1.00 0.00 C HETATM 469 N7 XGA B 14 -2.277 7.337 1.942 1.00 0.00 N HETATM 470 C4 XGA B 14 1.891 7.093 1.663 1.00 0.00 C HETATM 471 C5 XGA B 14 1.271 6.373 2.705 1.00 0.00 C HETATM 472 N3 XGA B 14 3.218 7.086 1.480 1.00 0.00 N HETATM 473 C2 XGA B 14 3.956 6.352 2.346 1.00 0.00 C HETATM 474 N2 XGA B 14 5.300 6.329 2.173 1.00 0.00 N HETATM 475 N1 XGA B 14 3.442 5.638 3.366 1.00 0.00 N HETATM 476 C6 XGA B 14 2.075 5.630 3.572 1.00 0.00 C HETATM 477 O6 XGA B 14 1.592 4.973 4.492 1.00 0.00 O HETATM 478 C10 XGA B 14 -0.288 7.863 0.954 1.00 0.00 C HETATM 479 C11 XGA B 14 -0.920 7.160 1.979 1.00 0.00 C HETATM 480 CP XGA B 14 -0.140 6.406 2.867 1.00 0.00 C HETATM 481 CD XGA B 14 1.110 7.840 0.780 1.00 0.00 C HETATM 482 O3' XGA B 14 -1.454 10.663 -3.451 1.00 0.00 O HETATM 0 HN22 XGA B 14 5.887 5.786 2.807 1.00 0.00 H new HETATM 0 HN21 XGA B 14 5.725 6.854 1.409 1.00 0.00 H new HETATM 0 H5'2 XGA B 14 -1.501 13.648 -0.497 1.00 0.00 H new HETATM 0 H5'1 XGA B 14 -1.833 12.372 0.657 1.00 0.00 H new HETATM 0 H2'2 XGA B 14 -3.349 9.684 -0.904 1.00 0.00 H new HETATM 0 H2'1 XGA B 14 -2.761 8.835 -2.320 1.00 0.00 H new HETATM 0 HP XGA B 14 -0.613 5.849 3.676 1.00 0.00 H new HETATM 0 HN1 XGA B 14 4.057 5.107 3.982 1.00 0.00 H new HETATM 0 HD XGA B 14 1.575 8.398 -0.033 1.00 0.00 H new HETATM 0 H8 XGA B 14 -3.480 8.469 0.610 1.00 0.00 H new HETATM 0 H4' XGA B 14 -0.571 12.246 -1.875 1.00 0.00 H new HETATM 0 H3' XGA B 14 -3.119 11.513 -2.525 1.00 0.00 H new HETATM 0 H1' XGA B 14 -0.524 8.797 -1.554 1.00 0.00 H new ATOM 496 P DC B 15 -2.165 10.453 -4.883 1.00 0.00 P ATOM 497 OP1 DC B 15 -1.924 11.662 -5.701 1.00 0.00 O ATOM 498 OP2 DC B 15 -3.549 9.981 -4.653 1.00 0.00 O ATOM 499 O5' DC B 15 -1.318 9.238 -5.516 1.00 0.00 O ATOM 500 C5' DC B 15 -0.230 8.661 -4.785 1.00 0.00 C ATOM 501 C4' DC B 15 0.341 7.426 -5.477 1.00 0.00 C ATOM 502 O4' DC B 15 0.792 6.510 -4.470 1.00 0.00 O ATOM 503 C3' DC B 15 -0.653 6.629 -6.313 1.00 0.00 C ATOM 504 O3' DC B 15 0.111 5.904 -7.280 1.00 0.00 O ATOM 505 C2' DC B 15 -1.212 5.608 -5.336 1.00 0.00 C ATOM 506 C1' DC B 15 0.006 5.311 -4.465 1.00 0.00 C ATOM 507 N1 DC B 15 -0.353 4.985 -3.065 1.00 0.00 N ATOM 508 C2 DC B 15 0.325 3.940 -2.453 1.00 0.00 C ATOM 509 O2 DC B 15 1.209 3.332 -3.056 1.00 0.00 O ATOM 510 N3 DC B 15 0.002 3.614 -1.173 1.00 0.00 N ATOM 511 C4 DC B 15 -0.945 4.286 -0.510 1.00 0.00 C ATOM 512 N4 DC B 15 -1.206 3.918 0.744 1.00 0.00 N ATOM 513 C5 DC B 15 -1.647 5.367 -1.129 1.00 0.00 C ATOM 514 C6 DC B 15 -1.323 5.682 -2.397 1.00 0.00 C ATOM 0 H5' DC B 15 -0.570 8.390 -3.785 1.00 0.00 H new ATOM 0 H5'' DC B 15 0.558 9.404 -4.664 1.00 0.00 H new ATOM 0 H4' DC B 15 1.117 7.811 -6.139 1.00 0.00 H new ATOM 0 H3' DC B 15 -1.417 7.241 -6.793 1.00 0.00 H new ATOM 0 H2' DC B 15 -2.042 6.010 -4.755 1.00 0.00 H new ATOM 0 H2'' DC B 15 -1.580 4.716 -5.843 1.00 0.00 H new ATOM 0 H1' DC B 15 0.533 4.443 -4.862 1.00 0.00 H new ATOM 0 H41 DC B 15 -1.922 4.408 1.281 1.00 0.00 H new ATOM 0 H42 DC B 15 -0.690 3.147 1.167 1.00 0.00 H new ATOM 0 H5 DC B 15 -2.412 5.913 -0.597 1.00 0.00 H new ATOM 0 H6 DC B 15 -1.834 6.494 -2.893 1.00 0.00 H new ATOM 526 P DG B 16 -0.548 5.406 -8.662 1.00 0.00 P ATOM 527 OP1 DG B 16 -0.251 6.410 -9.708 1.00 0.00 O ATOM 528 OP2 DG B 16 -1.948 5.007 -8.395 1.00 0.00 O ATOM 529 O5' DG B 16 0.301 4.075 -8.983 1.00 0.00 O ATOM 530 C5' DG B 16 1.664 3.965 -8.556 1.00 0.00 C ATOM 531 C4' DG B 16 2.056 2.521 -8.259 1.00 0.00 C ATOM 532 O4' DG B 16 1.722 2.216 -6.895 1.00 0.00 O ATOM 533 C3' DG B 16 1.328 1.469 -9.099 1.00 0.00 C ATOM 534 O3' DG B 16 2.241 0.384 -9.287 1.00 0.00 O ATOM 535 C2' DG B 16 0.230 0.959 -8.182 1.00 0.00 C ATOM 536 C1' DG B 16 0.912 1.039 -6.825 1.00 0.00 C ATOM 537 N9 DG B 16 -0.034 1.164 -5.696 1.00 0.00 N ATOM 538 C8 DG B 16 -1.342 1.585 -5.701 1.00 0.00 C ATOM 539 N7 DG B 16 -1.907 1.550 -4.526 1.00 0.00 N ATOM 540 C5 DG B 16 -0.908 1.074 -3.684 1.00 0.00 C ATOM 541 C6 DG B 16 -0.935 0.825 -2.284 1.00 0.00 C ATOM 542 O6 DG B 16 -1.868 0.978 -1.501 1.00 0.00 O ATOM 543 N1 DG B 16 0.285 0.350 -1.826 1.00 0.00 N ATOM 544 C2 DG B 16 1.397 0.142 -2.613 1.00 0.00 C ATOM 545 N2 DG B 16 2.498 -0.302 -2.007 1.00 0.00 N ATOM 546 N3 DG B 16 1.430 0.372 -3.926 1.00 0.00 N ATOM 547 C4 DG B 16 0.246 0.836 -4.391 1.00 0.00 C ATOM 0 H5' DG B 16 1.814 4.572 -7.663 1.00 0.00 H new ATOM 0 H5'' DG B 16 2.319 4.367 -9.329 1.00 0.00 H new ATOM 0 H4' DG B 16 3.121 2.469 -8.486 1.00 0.00 H new ATOM 0 H3' DG B 16 0.963 1.849 -10.053 1.00 0.00 H new ATOM 0 H2' DG B 16 -0.665 1.579 -8.229 1.00 0.00 H new ATOM 0 H2'' DG B 16 -0.073 -0.058 -8.430 1.00 0.00 H new ATOM 0 H1' DG B 16 1.472 0.123 -6.635 1.00 0.00 H new ATOM 0 H8 DG B 16 -1.854 1.914 -6.593 1.00 0.00 H new ATOM 0 H1 DG B 16 0.365 0.139 -0.831 1.00 0.00 H new ATOM 0 H21 DG B 16 3.346 -0.471 -2.549 1.00 0.00 H new ATOM 0 H22 DG B 16 2.493 -0.473 -1.001 1.00 0.00 H new HETATM 559 P XTY B 17 3.005 0.178 -10.689 1.00 0.00 P HETATM 560 OP1 XTY B 17 2.097 0.597 -11.781 1.00 0.00 O HETATM 561 OP2 XTY B 17 4.351 0.781 -10.575 1.00 0.00 O HETATM 562 C5' XTY B 17 3.472 -2.184 -9.585 1.00 0.00 C HETATM 563 C4' XTY B 17 2.882 -3.591 -9.657 1.00 0.00 C HETATM 564 O4' XTY B 17 2.034 -3.799 -8.516 1.00 0.00 O HETATM 565 C3' XTY B 17 1.996 -3.846 -10.869 1.00 0.00 C HETATM 566 C2' XTY B 17 0.589 -3.574 -10.356 1.00 0.00 C HETATM 567 C1' XTY B 17 0.669 -4.043 -8.900 1.00 0.00 C HETATM 568 O5' XTY B 17 3.175 -1.423 -10.762 1.00 0.00 O HETATM 569 C2 XTY B 17 1.041 -4.501 -4.794 1.00 0.00 C HETATM 570 O2 XTY B 17 1.835 -5.319 -4.334 1.00 0.00 O HETATM 571 N3 XTY B 17 0.258 -3.721 -3.961 1.00 0.00 N HETATM 572 C4 XTY B 17 -0.659 -2.789 -4.398 1.00 0.00 C HETATM 573 O4 XTY B 17 -1.311 -2.127 -3.592 1.00 0.00 O HETATM 574 C5 XTY B 17 -0.812 -2.620 -5.776 1.00 0.00 C HETATM 575 C6 XTY B 17 -0.026 -3.401 -6.657 1.00 0.00 C HETATM 576 N XTY B 17 0.895 -4.335 -6.174 1.00 0.00 N HETATM 577 CP XTY B 17 -1.740 -1.682 -6.275 1.00 0.00 C HETATM 578 CD XTY B 17 -1.100 -2.298 -8.538 1.00 0.00 C HETATM 579 C8 XTY B 17 -0.156 -3.252 -8.056 1.00 0.00 C HETATM 580 C7 XTY B 17 -1.879 -1.528 -7.652 1.00 0.00 C HETATM 581 C7A XTY B 17 -2.889 -0.526 -8.203 1.00 0.00 C HETATM 582 O3' XTY B 17 2.088 -5.241 -11.175 1.00 0.00 O HETATM 0 H7A3 XTY B 17 -3.889 -0.794 -7.863 1.00 0.00 H new HETATM 0 H7A2 XTY B 17 -2.640 0.474 -7.848 1.00 0.00 H new HETATM 0 H7A1 XTY B 17 -2.860 -0.541 -9.292 1.00 0.00 H new HETATM 0 H5'2 XTY B 17 3.077 -1.669 -8.709 1.00 0.00 H new HETATM 0 H5'1 XTY B 17 4.552 -2.249 -9.457 1.00 0.00 H new HETATM 0 H2'2 XTY B 17 0.328 -2.518 -10.428 1.00 0.00 H new HETATM 0 H2'1 XTY B 17 -0.162 -4.127 -10.920 1.00 0.00 H new HETATM 0 HP XTY B 17 -2.342 -1.084 -5.590 1.00 0.00 H new HETATM 0 HN3 XTY B 17 0.367 -3.844 -2.954 1.00 0.00 H new HETATM 0 HN XTY B 17 1.455 -4.890 -6.822 1.00 0.00 H new HETATM 0 HD XTY B 17 -1.221 -2.162 -9.613 1.00 0.00 H new HETATM 0 H4' XTY B 17 3.743 -4.258 -9.707 1.00 0.00 H new HETATM 0 H3' XTY B 17 2.260 -3.249 -11.742 1.00 0.00 H new HETATM 0 H1' XTY B 17 0.351 -5.082 -8.810 1.00 0.00 H new ATOM 597 P DA B 18 2.974 -5.736 -12.429 1.00 0.00 P ATOM 598 OP1 DA B 18 4.142 -4.835 -12.557 1.00 0.00 O ATOM 599 OP2 DA B 18 2.070 -5.938 -13.582 1.00 0.00 O ATOM 600 O5' DA B 18 3.503 -7.178 -11.949 1.00 0.00 O ATOM 601 C5' DA B 18 4.344 -7.312 -10.797 1.00 0.00 C ATOM 602 C4' DA B 18 4.178 -8.684 -10.152 1.00 0.00 C ATOM 603 O4' DA B 18 3.110 -8.615 -9.200 1.00 0.00 O ATOM 604 C3' DA B 18 3.780 -9.790 -11.120 1.00 0.00 C ATOM 605 O3' DA B 18 4.215 -11.030 -10.557 1.00 0.00 O ATOM 606 C2' DA B 18 2.260 -9.782 -11.073 1.00 0.00 C ATOM 607 C1' DA B 18 1.981 -9.391 -9.623 1.00 0.00 C ATOM 608 N9 DA B 18 0.773 -8.549 -9.488 1.00 0.00 N ATOM 609 C8 DA B 18 0.027 -7.944 -10.471 1.00 0.00 C ATOM 610 N7 DA B 18 -0.971 -7.244 -10.014 1.00 0.00 N ATOM 611 C5 DA B 18 -0.880 -7.395 -8.637 1.00 0.00 C ATOM 612 C6 DA B 18 -1.651 -6.899 -7.581 1.00 0.00 C ATOM 613 N6 DA B 18 -2.713 -6.114 -7.753 1.00 0.00 N ATOM 614 N1 DA B 18 -1.294 -7.237 -6.333 1.00 0.00 N ATOM 615 C2 DA B 18 -0.238 -8.019 -6.154 1.00 0.00 C ATOM 616 N3 DA B 18 0.568 -8.552 -7.061 1.00 0.00 N ATOM 617 C4 DA B 18 0.177 -8.189 -8.302 1.00 0.00 C ATOM 0 H5' DA B 18 4.100 -6.535 -10.073 1.00 0.00 H new ATOM 0 H5'' DA B 18 5.385 -7.165 -11.084 1.00 0.00 H new ATOM 0 H4' DA B 18 5.152 -8.924 -9.725 1.00 0.00 H new ATOM 0 H3' DA B 18 4.190 -9.662 -12.122 1.00 0.00 H new ATOM 0 H2' DA B 18 1.835 -9.066 -11.776 1.00 0.00 H new ATOM 0 H2'' DA B 18 1.840 -10.757 -11.319 1.00 0.00 H new ATOM 0 H1' DA B 18 1.820 -10.291 -9.030 1.00 0.00 H new ATOM 0 H8 DA B 18 0.248 -8.040 -11.524 1.00 0.00 H new ATOM 0 H61 DA B 18 -3.238 -5.782 -6.944 1.00 0.00 H new ATOM 0 H62 DA B 18 -3.001 -5.845 -8.694 1.00 0.00 H new ATOM 0 H2 DA B 18 -0.002 -8.254 -5.127 1.00 0.00 H new HETATM 629 P XCS B 19 4.814 -12.189 -11.505 1.00 0.00 P HETATM 630 OP2 XCS B 19 6.258 -12.330 -11.209 1.00 0.00 O HETATM 631 C6 XCS B 19 -1.244 -12.304 -9.999 1.00 0.00 C HETATM 632 C2 XCS B 19 -2.148 -12.144 -7.780 1.00 0.00 C HETATM 633 O2 XCS B 19 -2.228 -12.595 -6.639 1.00 0.00 O HETATM 634 N3 XCS B 19 -2.837 -11.016 -8.146 1.00 0.00 N HETATM 635 C4 XCS B 19 -2.756 -10.517 -9.392 1.00 0.00 C HETATM 636 N4 XCS B 19 -3.461 -9.420 -9.671 1.00 0.00 N HETATM 637 C5 XCS B 19 -1.942 -11.154 -10.379 1.00 0.00 C HETATM 638 OP1 XCS B 19 4.368 -11.931 -12.894 1.00 0.00 O HETATM 639 O5' XCS B 19 4.060 -13.507 -10.975 1.00 0.00 O HETATM 640 C5' XCS B 19 3.568 -13.583 -9.632 1.00 0.00 C HETATM 641 C4' XCS B 19 2.378 -14.533 -9.522 1.00 0.00 C HETATM 642 O4' XCS B 19 1.168 -13.761 -9.447 1.00 0.00 O HETATM 643 C1' XCS B 19 0.247 -14.149 -10.475 1.00 0.00 C HETATM 644 ND XCS B 19 -1.341 -12.797 -8.713 1.00 0.00 N HETATM 645 CP XCS B 19 -1.846 -10.643 -11.692 1.00 0.00 C HETATM 646 CD XCS B 19 -0.334 -12.466 -12.243 1.00 0.00 C HETATM 647 C8 XCS B 19 -0.425 -12.986 -10.920 1.00 0.00 C HETATM 648 C7 XCS B 19 -1.039 -11.305 -12.618 1.00 0.00 C HETATM 649 C7A XCS B 19 -0.922 -10.770 -14.042 1.00 0.00 C HETATM 650 C2' XCS B 19 1.143 -14.740 -11.559 1.00 0.00 C HETATM 651 C3' XCS B 19 2.187 -15.458 -10.721 1.00 0.00 C HETATM 652 O3' XCS B 19 1.585 -16.661 -10.233 1.00 0.00 O HETATM 0 HN42 XCS B 19 -3.424 -9.014 -10.606 1.00 0.00 H new HETATM 0 HN41 XCS B 19 -4.038 -8.987 -8.950 1.00 0.00 H new HETATM 0 H7A3 XCS B 19 -1.907 -10.760 -14.509 1.00 0.00 H new HETATM 0 H7A2 XCS B 19 -0.521 -9.757 -14.018 1.00 0.00 H new HETATM 0 H7A1 XCS B 19 -0.254 -11.411 -14.618 1.00 0.00 H new HETATM 0 H5'2 XCS B 19 4.366 -13.920 -8.970 1.00 0.00 H new HETATM 0 H5'1 XCS B 19 3.273 -12.589 -9.295 1.00 0.00 H new HETATM 0 H2'2 XCS B 19 0.601 -15.422 -12.214 1.00 0.00 H new HETATM 0 H2'1 XCS B 19 1.583 -13.971 -12.194 1.00 0.00 H new HETATM 0 HP XCS B 19 -2.394 -9.745 -11.978 1.00 0.00 H new HETATM 0 HND XCS B 19 -0.825 -13.635 -8.446 1.00 0.00 H new HETATM 0 HD XCS B 19 0.291 -12.974 -12.977 1.00 0.00 H new HETATM 0 H4' XCS B 19 2.583 -15.139 -8.640 1.00 0.00 H new HETATM 0 H3' XCS B 19 3.108 -15.681 -11.260 1.00 0.00 H new HETATM 0 H1' XCS B 19 -0.516 -14.862 -10.163 1.00 0.00 H new ATOM 668 P DA B 20 2.495 -17.931 -9.842 1.00 0.00 P ATOM 669 OP1 DA B 20 2.902 -18.610 -11.092 1.00 0.00 O ATOM 670 OP2 DA B 20 3.524 -17.483 -8.877 1.00 0.00 O ATOM 671 O5' DA B 20 1.457 -18.886 -9.065 1.00 0.00 O ATOM 672 C5' DA B 20 0.419 -18.331 -8.250 1.00 0.00 C ATOM 673 C4' DA B 20 -0.866 -19.154 -8.331 1.00 0.00 C ATOM 674 O4' DA B 20 -1.954 -18.286 -8.683 1.00 0.00 O ATOM 675 C3' DA B 20 -0.859 -20.258 -9.395 1.00 0.00 C ATOM 676 O3' DA B 20 -1.617 -21.386 -8.950 1.00 0.00 O ATOM 677 C2' DA B 20 -1.547 -19.584 -10.575 1.00 0.00 C ATOM 678 C1' DA B 20 -2.599 -18.746 -9.871 1.00 0.00 C ATOM 679 N9 DA B 20 -3.032 -17.577 -10.665 1.00 0.00 N ATOM 680 C8 DA B 20 -2.273 -16.722 -11.425 1.00 0.00 C ATOM 681 N7 DA B 20 -2.967 -15.780 -12.003 1.00 0.00 N ATOM 682 C5 DA B 20 -4.273 -16.031 -11.595 1.00 0.00 C ATOM 683 C6 DA B 20 -5.494 -15.390 -11.859 1.00 0.00 C ATOM 684 N6 DA B 20 -5.608 -14.313 -12.636 1.00 0.00 N ATOM 685 N1 DA B 20 -6.602 -15.896 -11.296 1.00 0.00 N ATOM 686 C2 DA B 20 -6.499 -16.971 -10.522 1.00 0.00 C ATOM 687 N3 DA B 20 -5.418 -17.662 -10.197 1.00 0.00 N ATOM 688 C4 DA B 20 -4.324 -17.125 -10.779 1.00 0.00 C ATOM 0 H5' DA B 20 0.216 -17.308 -8.566 1.00 0.00 H new ATOM 0 H5'' DA B 20 0.756 -18.284 -7.214 1.00 0.00 H new ATOM 0 H4' DA B 20 -0.963 -19.622 -7.351 1.00 0.00 H new ATOM 0 H3' DA B 20 0.137 -20.635 -9.628 1.00 0.00 H new ATOM 0 H2' DA B 20 -0.858 -18.973 -11.158 1.00 0.00 H new ATOM 0 H2'' DA B 20 -1.989 -20.307 -11.260 1.00 0.00 H new ATOM 0 HO3' DA B 20 -1.605 -22.081 -9.640 1.00 0.00 H new ATOM 0 H1' DA B 20 -3.497 -19.338 -9.693 1.00 0.00 H new ATOM 0 H8 DA B 20 -1.203 -16.820 -11.534 1.00 0.00 H new ATOM 0 H61 DA B 20 -6.523 -13.891 -12.791 1.00 0.00 H new ATOM 0 H62 DA B 20 -4.780 -13.911 -13.076 1.00 0.00 H new ATOM 0 H2 DA B 20 -7.426 -17.331 -10.100 1.00 0.00 H new TER 701 DA B 20